tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate

C19H23N3O2 — CID 123581888

IUPACtert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1=Cc1cnc2ccccc2n1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)24-18(23)22-15-10-6-7-13(15)11-14-12-20-16-8-4-5-9-17(16)21-14/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H,22,23)
InChIKeyZLDDZNCKKQUGLR-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate

tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate (PubChem CID 123581888) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate
PubChem CID123581888
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1=Cc1cnc2ccccc2n1
InChIInChI=1S/C19H23N3O2/c1-19(2,3)24-18(23)22-15-10-6-7-13(15)11-14-12-20-16-8-4-5-9-17(16)21-14/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H,22,23)
InChIKeyZLDDZNCKKQUGLR-UHFFFAOYSA-N
XLogP4.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate
CID 154111247
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
(2S,6E)-2-methyl-6-(quinoxalin-2-ylmethylidene)cyclohexan-1-one
CID 9029213
tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
CID 118155899
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
tert-butyl (3S)-3-quinoxalin-2-ylsulfonylpiperidine-1-carboxylate
CID 97171844
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 71903618
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
tert-butyl N-[(3aR,4R,6aR)-2-(quinolin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100686143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate (CID 123581888) is tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1=Cc1cnc2ccccc2n1.
What is the InChIKey of tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate?
The InChIKey is ZLDDZNCKKQUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)24-18(23)22-15-10-6-7-13(15)11-14-12-20-16-8-4-5-9-17(16)21-14/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate?
tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate is sourced from PubChem (CID 123581888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).